N-benzyl-N-(furan-2-ylmethyl)-3-oxo-4H-1,4-benzoxazine-7-carboxamide

C21H18N2O4 — CID 37429056

IUPACN-benzyl-N-(furan-2-ylmethyl)-3-oxo-4H-1,4-benzoxazine-7-carboxamide
SMILESO=C1COc2cc(C(=O)N(Cc3ccccc3)Cc3ccco3)ccc2N1
InChIInChI=1S/C21H18N2O4/c24-20-14-27-19-11-16(8-9-18(19)22-20)21(25)23(13-17-7-4-10-26-17)12-15-5-2-1-3-6-15/h1-11H,12-14H2,(H,22,24)
InChIKeyGBNLKDLLZGZOGW-UHFFFAOYSA-N
MW362.39 g/mol
LogP3.45
Rot. Bonds5

About N-benzyl-N-(furan-2-ylmethyl)-3-oxo-4H-1,4-benzoxazine-7-carboxamide

N-benzyl-N-(furan-2-ylmethyl)-3-oxo-4H-1,4-benzoxazine-7-carboxamide (PubChem CID 37429056) has the molecular formula C21H18N2O4 and a molecular weight of 362.39 g/mol. Its IUPAC name is N-benzyl-N-(furan-2-ylmethyl)-3-oxo-4H-1,4-benzoxazine-7-carboxamide.

Molecular Properties

Compound NameN-benzyl-N-(furan-2-ylmethyl)-3-oxo-4H-1,4-benzoxazine-7-carboxamide
PubChem CID37429056
Molecular FormulaC21H18N2O4
Molecular Weight362.39 g/mol
Exact Mass362.13
IUPAC NameN-benzyl-N-(furan-2-ylmethyl)-3-oxo-4H-1,4-benzoxazine-7-carboxamide
SMILESO=C1COc2cc(C(=O)N(Cc3ccccc3)Cc3ccco3)ccc2N1
InChIInChI=1S/C21H18N2O4/c24-20-14-27-19-11-16(8-9-18(19)22-20)21(25)23(13-17-7-4-10-26-17)12-15-5-2-1-3-6-15/h1-11H,12-14H2,(H,22,24)
InChIKeyGBNLKDLLZGZOGW-UHFFFAOYSA-N
XLogP3.45
TPSA71.78 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.39
LogP ≤ 53.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-benzyl-N-(furan-2-ylmethyl)-3-oxo-4H-1,4-benzoxazine-7-carboxamide?
The IUPAC name of N-benzyl-N-(furan-2-ylmethyl)-3-oxo-4H-1,4-benzoxazine-7-carboxamide (CID 37429056) is N-benzyl-N-(furan-2-ylmethyl)-3-oxo-4H-1,4-benzoxazine-7-carboxamide.
What is the SMILES notation for N-benzyl-N-(furan-2-ylmethyl)-3-oxo-4H-1,4-benzoxazine-7-carboxamide?
The canonical SMILES for N-benzyl-N-(furan-2-ylmethyl)-3-oxo-4H-1,4-benzoxazine-7-carboxamide is O=C1COc2cc(C(=O)N(Cc3ccccc3)Cc3ccco3)ccc2N1.
What is the InChIKey of N-benzyl-N-(furan-2-ylmethyl)-3-oxo-4H-1,4-benzoxazine-7-carboxamide?
The InChIKey is GBNLKDLLZGZOGW-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H18N2O4/c24-20-14-27-19-11-16(8-9-18(19)22-20)21(25)23(13-17-7-4-10-26-17)12-15-5-2-1-3-6-15/h1-11H,12-14H2,(H,22,24).
What are the key properties of N-benzyl-N-(furan-2-ylmethyl)-3-oxo-4H-1,4-benzoxazine-7-carboxamide?
N-benzyl-N-(furan-2-ylmethyl)-3-oxo-4H-1,4-benzoxazine-7-carboxamide has a molecular weight of 362.39 g/mol, XLogP of 3.45, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-N-(furan-2-ylmethyl)-3-oxo-4H-1,4-benzoxazine-7-carboxamide is sourced from PubChem (CID 37429056), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).